POVME script missing?

[kenbyler]

I tried to run the generate_single_pocket.py script, but it calls a specific POVME script (POVME_pocket_id.py) that is not included with the Durrant lab's installation. I found a different installation (POVME3) that includes this script, but running it gives me an error "IndexError: index 0 is out of bounds for axis 0 with size 0" with the files included in /data/sample. Is there a way to use the POVME that is cloned with the BInD installation? Thank you!

[sistar2020]

POVME_pocket_id.py can be found in POVME3 (https://github.com/POVME/POVME3).
But even if you install POVME3, instead of POVME, generate_single_pocket.py still doesn't work.
I doubt that the authors have tested their package before the release.

[dhyeonk-0008]

Hi, I think the issue that @kenbyler said is about python2/3 version issue, the series of errors you encountered stemmed from the incompatibility of running the legacy POVME_pocket_id.py script, originally written for Python 2, in a modern Python 3 environment.

First of all, there was a problem with the code written in Python2's grammar. There were syntax errors and tab errors of print here, so you have to solve them. After that, there was a problem with data type, but in Python2, the distinction between String and Bytes was ambiguous, but in Python3, the atomic type that is like this must be modified to Unicode (U2, U3, ..). Finally, there was an error whether there was a problem with the data type called numpy.matrix, and when I corrected it to numpy.array, it became generation normally.